Guanine Crystals:  A First Principles Study

We report first principles density functional theory studies on the basic ground state characteristics, dynamic properties, and the electronic structure of guanine crystals. The effect of water molecules within the crystal is studied in detail, and we discuss their influence on the structural, vibra...

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Veröffentlicht in:	The journal of physical chemistry. B 2008-02, Vol.112 (5), p.1540-1548
Hauptverfasser:	Ortmann, F, Hannewald, K, Bechstedt, F
Format:	Artikel
Sprache:	eng
Schlagworte:	Crystallization DNA - chemistry Electrons Guanine - chemistry Hydrogen Bonding Models, Molecular Molecular Conformation Oxygen - chemistry X-Ray Diffraction
Online-Zugang:	Volltext
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